5,7,8-trimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one

Systemtic Name: 5,7,8-trimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one Openeye Name: 5,7,8-trimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one CAS Name: 5,7,8-trimethyl-4-(4-morpholin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 5,7,8-trimethyl-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one Traditional Name: 5,7,8-trimethyl-4-(morpholin-4-ium-4-ylmethyl)coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CC(=O)O2)C[NH+]3CCOCC3)C)C

InChI

InChI=1S/C17H21NO3/c1-11-8-12(2)16-14(10-18-4-6-20-7-5-18)9-15(19)21-17(16)13(11)3/h8-9H,4-7,10H2,1-3H3/p+1